Chemical ID: 6351001

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CC#N
Chemical ID:
6351001
Name [?]:
N-[1-(1-adamantyl)ethyl]-3-nitrido-propanamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CC#N
InChi [?]:
InChI=1/C15H22N2O/c1-10(17-14(18)2-3-16)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2,4-9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,17,6,9,11,8,4,12,2,7,5,10,14,3,18,13,15/E:(4,5,6)(7,8,9)(11,12,13)/rA:18cCCCCCCCCCCCCNCOCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;t17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.80966
Area:422.944
Solvation:-2.76394
Coulombic:-22.6403
Bond Count [?]
All:20
Single:18
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:246.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):2.21

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